4-[[2-[(7-carbamimidoylnaphthalen-2-yl)methyl]-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl]oxy]piperidine-1-carboximidamide

Systemtic Name: 4-[[2-[(7-carbamimidoylnaphthalen-2-yl)methyl]-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl]oxy]piperidine-1-carboximidamide Openeye Name: 4-[[2-[(7-carbamimidoyl-2-naphthyl)methyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]piperidine-1-carboxamidine CAS Name: 4-[[2-[(7-carbamimidoyl-2-naphthalenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]-1-piperidinecarboximidamide IUPAC Name: 4-[[2-[(7-carbamimidoylnaphthalen-2-yl)methyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]piperidine-1-carboximidamide Traditional Name: 4-[[2-[(7-amidino-2-naphthyl)methyl]-1-keto-3,4-dihydroisoquinolin-6-yl]oxy]piperidine-1-carboxamidine Formula: C27H30N6O2 MolecularWeight: 470.5661

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC3=C(C=C2)C(=O)N(CC3)CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N)C(=N)N

Isomeric SMILES

C1CN(CCC1OC2=CC3=C(C=C2)C(=O)N(CC3)CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N)C(=N)N

InChI

InChI=1S/C27H30N6O2/c28-25(29)20-4-3-18-2-1-17(13-21(18)14-20)16-33-10-7-19-15-23(5-6-24(19)26(33)34)35-22-8-11-32(12-9-22)27(30)31/h1-6,13-15,22H,7-12,16H2,(H3,28,29)(H3,30,31)